N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide

C16H25N3O4S — CID 43072801

IUPACN-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(OC)cc1
InChIInChI=1S/C16H25N3O4S/c1-3-15(12-4-6-14(23-2)7-5-12)18-16(20)13-8-10-19(11-9-13)24(17,21)22/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyXZZIIASPJWIUFR-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.18
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide

N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 43072801) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID43072801
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(OC)cc1
InChIInChI=1S/C16H25N3O4S/c1-3-15(12-4-6-14(23-2)7-5-12)18-16(20)13-8-10-19(11-9-13)24(17,21)22/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyXZZIIASPJWIUFR-UHFFFAOYSA-N
XLogP1.18
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide (CID 43072801) is N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is XZZIIASPJWIUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-15(12-4-6-14(23-2)7-5-12)18-16(20)13-8-10-19(11-9-13)24(17,21)22/h4-7,13,15H,3,8-11H2,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 43072801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).